SCHEMBL7824747

SCHEMBL7824747

CCOC(=O)CC(C)(N)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.35
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28695914 0.81 MMP8 (0.47) MMP8GAAMGAMSIMGAM2
SCHEMBL234979 0.81 MMP8 (0.47) MMP8GAAMGAMSIMGAM2
SCHEMBL7815798 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4973323 0.79 MMP8 (0.46) MMP8GAAMGAMSIMGAM2
SCHEMBL5972497 0.79 GAA (0.44) MMP8GAAMGAMSIMGAM2
SCHEMBL28100625 0.77 GAA (0.43) MMP8GAAMGAMSIMGAM2
SCHEMBL7822673 0.77 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4973936 0.76 MMP8 (0.44) MMP8GAAMGAMSIMGAM2
SCHEMBL1409293 0.76 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL26768847 0.75 GAA (0.44) MMP8GAAMGAMSIMGAM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed